(2R)-2-(hexadecanoylamino)-3-(1-methoxy-2-octadecanoyloxy-propan-2-yl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-(hexadecanoylamino)-3-(1-methoxy-2-octadecanoyloxy-propan-2-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-(hexadecanoylamino)-3-(2-methoxy-1-methyl-1-octadecanoyloxy-ethyl)sulfanyl-propanoic acid CAS Name: (2R)-3-[[1-methoxy-2-(1-oxooctadecoxy)propan-2-yl]thio]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: (2R)-2-(hexadecanoylamino)-3-(1-methoxy-2-octadecanoyloxypropan-2-yl)sulfanylpropanoic acid Traditional Name: (2R)-3-[(2-methoxy-1-methyl-1-stearoyloxy-ethyl)thio]-2-palmitamido-propionic acid Formula: C41H79NO6S MolecularWeight: 714.13406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)(COC)SCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)(COC)SC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H79NO6S/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(44)48-41(3,36-47-4)49-35-37(40(45)46)42-38(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,42,43)(H,45,46)/t37-,41?/m0/s1